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This is the repository for reproducing results in "APRILE: Exploring the Molecular Mechanisms of Drug Side Effects with Explainable Graph Neural Networks".

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NYXFLOWER/APRILE-Exp

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APRILE-Exp

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APRILE-Exp is the explainer of APRILE. It is designed to explain predictions made by APRILE-Pred.

Previously, we provide a command line tool for the APRILE-Exp, called PosePath. Now, we do not develop it anymore, but it is still available at the PosePath branch in this repository. [download here]

If you are interested in using APRILE, we recommend installing this easy-to-use implementation following the instruction [here].

Reproducing APRILE's results

Actually, this is the repository for reproducing results in "APRILE: Exploring the Molecular Mechanisms of Drug Side Effects with Explainable Graph Neural Networks".

In this repository, we provide Jupyter notebooks for APRILE explanations' evaluation and supplementary data (for more information, see this directory's README).

Additional supplementary materials are as follows:

Content Link
1 Code and notebooks for APRILE-Pred https://github.com/NYXFLOWER/APRILE-Pred
2 The selected pre-trained APRILE-Pred https://github.com/NYXFLOWER/APRILE/blob/main/aprile/POSE-pred.pt

License

This code is distributed under the terms of the Apache License 2.0.

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This is the repository for reproducing results in "APRILE: Exploring the Molecular Mechanisms of Drug Side Effects with Explainable Graph Neural Networks".

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